VMD-L Mailing List

From: hodak_at_chips.ncsu.edu
Date: Fri Nov 18 2005 - 17:41:13 CST

I am trying to create psf of a protein that has uncharged terminal ends
(i.e. NH2 and COOH instead of NH3+ and COO-), but psfgen always generates
charged ends.

Is there any way to get psfgen to generate system with neutral terminal
ends?

Help greatly appreciated.

        Miro